Pr2DyHo12
Alexandria ALEXAlex-ID: agm005807641 · 空间群: P4/nbm (#125)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_70_spg125
PrDyHo4 PrHo8
2023-07-23 07:48:59.718102
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807641).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005807641
data_agm005807641
_cell_length_a 6.41041
_cell_length_b 6.41041
_cell_length_c 24.93896
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1024.82430
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.50000 0.00000 0.27141 1.00000
Pr2 Pr 0.00000 0.50000 0.27141 1.00000
Pr3 Pr 0.00000 0.50000 0.72859 1.00000
Pr4 Pr 0.50000 0.00000 0.72859 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.78538 1.00000
Ho2 Ho 0.00000 0.00000 0.78538 1.00000
Ho3 Ho 0.68633 0.81367 0.88459 1.00000
Ho4 Ho 0.18633 0.68633 0.88459 1.00000
Ho5 Ho 0.00000 0.00000 0.34052 1.00000
Ho6 Ho 0.31367 0.81367 0.11541 1.00000
Ho7 Ho 0.83120 0.33120 0.56026 1.00000
Ho8 Ho 0.50000 0.50000 0.34052 1.00000
Ho9 Ho 0.31367 0.18633 0.88459 1.00000
Ho10 Ho 0.81367 0.68633 0.11541 1.00000
Ho11 Ho 0.33120 0.16880 0.56026 1.00000
Ho12 Ho 0.66880 0.16880 0.43974 1.00000
Ho13 Ho 0.00000 0.00000 0.65948 1.00000
Ho14 Ho 0.16880 0.33120 0.43974 1.00000
Ho15 Ho 0.18633 0.31367 0.11541 1.00000
Ho16 Ho 0.83120 0.66880 0.43974 1.00000
Ho17 Ho 0.66880 0.83120 0.56026 1.00000
Ho18 Ho 0.00000 0.00000 0.21462 1.00000
Ho19 Ho 0.16880 0.66880 0.56026 1.00000
Ho20 Ho 0.50000 0.50000 0.65948 1.00000
Ho21 Ho 0.81367 0.31367 0.88459 1.00000
Ho22 Ho 0.50000 0.50000 0.21462 1.00000
Ho23 Ho 0.33120 0.83120 0.43974 1.00000
Ho24 Ho 0.68633 0.18633 0.11541 1.00000
